==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 18-MAR-01 1I9B . COMPND 2 MOLECULE: ACETYLCHOLINE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LYMNAEA STAGNALIS; . AUTHOR K.BREJC,W.J.VAN DIJK,R.KLAASSEN,M.SCHUURMANS,J.VAN DER OOST, . 1025 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 712 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 362 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 173 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 8 7 5 5 0 10 0 0 0 5 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 5 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A F 0 0 141 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.7 66.1 26.3 0.7 2 2 A D > - 0 0 78 68,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.604 360.0 -98.5-106.7 169.3 66.8 28.8 3.5 3 3 A R H > S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.832 125.3 54.4 -52.3 -35.0 65.0 29.7 6.7 4 4 A A H > S+ 0 0 23 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.955 110.1 44.4 -65.0 -49.0 63.4 32.6 4.9 5 5 A D H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.887 115.8 49.6 -62.1 -38.7 62.1 30.4 2.1 6 6 A I H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 3,-0.3 0.970 114.5 41.1 -66.1 -54.2 60.9 27.9 4.7 7 7 A L H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.916 112.6 57.4 -60.1 -42.1 59.1 30.3 6.9 8 8 A Y H X S+ 0 0 111 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.856 107.7 46.7 -57.6 -38.5 57.7 32.1 3.9 9 9 A N H X S+ 0 0 64 -4,-1.7 4,-2.4 -3,-0.3 5,-0.4 0.970 112.4 47.9 -69.2 -53.4 56.1 28.9 2.6 10 10 A I H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.887 114.8 48.1 -53.1 -42.9 54.5 27.9 5.9 11 11 A R H < S+ 0 0 137 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.927 114.8 44.2 -64.4 -45.8 53.2 31.5 6.2 12 12 A Q H < S+ 0 0 117 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.732 126.0 30.2 -73.8 -24.6 51.8 31.6 2.7 13 13 A T H < S+ 0 0 96 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.665 94.5 103.2-109.1 -21.6 50.2 28.2 2.7 14 14 A S < - 0 0 22 -4,-2.4 67,-0.1 -5,-0.4 49,-0.0 -0.183 49.0-159.3 -66.7 156.9 49.3 27.5 6.3 15 15 A R > - 0 0 81 3,-0.2 3,-2.1 1,-0.1 67,-0.1 -0.813 4.7-169.2-139.9 93.7 45.8 27.8 7.8 16 16 A P T 3 S+ 0 0 51 0, 0.0 67,-0.5 0, 0.0 65,-0.1 0.672 86.3 60.8 -56.1 -20.9 45.6 28.2 11.5 17 17 A D T 3 S+ 0 0 58 65,-0.1 2,-0.6 1,-0.1 264,-0.1 0.457 90.7 80.9 -89.7 0.7 41.9 27.6 11.5 18 18 A V S < S- 0 0 21 -3,-2.1 -3,-0.2 195,-0.0 64,-0.1 -0.917 75.0-134.3-118.2 116.7 42.1 24.1 10.1 19 19 A I - 0 0 8 -2,-0.6 2,-3.1 1,-0.1 190,-0.1 -0.413 25.4-121.3 -63.8 127.1 42.9 21.1 12.2 20 20 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 41,-0.2 -0.184 53.1 163.2 -66.5 49.5 45.6 18.9 10.5 21 21 A T - 0 0 43 -2,-3.1 2,-0.6 6,-0.1 188,-0.1 -0.540 29.8-155.1 -79.2 136.0 43.3 15.8 10.4 22 22 A Q B > -A 25 0A 70 3,-0.6 3,-1.2 -2,-0.3 -1,-0.0 -0.926 61.4 -49.6-111.4 105.6 44.0 12.9 8.1 23 23 A R T 3 S- 0 0 206 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.257 112.2 -31.5 62.7-154.2 40.8 11.0 7.3 24 24 A D T 3 S+ 0 0 155 -3,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.508 111.9 120.7 -72.6 -1.7 38.6 10.0 10.2 25 25 A R B < -A 22 0A 172 -3,-1.2 -3,-0.6 1,-0.1 123,-0.1 -0.457 63.8-130.8 -68.0 128.9 41.9 9.8 12.1 26 26 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 124,-0.3 -0.261 25.7-101.4 -72.6 165.6 42.2 12.2 15.1 27 27 A V E -b 150 0B 4 122,-3.6 124,-2.3 -6,-0.1 2,-1.0 -0.801 33.6-132.5 -90.4 127.4 45.1 14.5 15.6 28 28 A A E +b 151 0B 66 -2,-0.5 2,-0.5 122,-0.2 31,-0.3 -0.730 30.4 178.8 -87.3 104.7 47.5 13.0 18.1 29 29 A V E -b 152 0B 0 122,-2.8 124,-1.4 -2,-1.0 2,-0.5 -0.909 12.3-158.2-107.2 127.9 48.4 15.7 20.6 30 30 A S E -bC 153 57B 30 27,-2.7 27,-1.9 -2,-0.5 2,-0.4 -0.912 8.0-164.7-108.7 133.1 50.6 14.9 23.5 31 31 A V E + C 0 56B 1 122,-1.8 2,-0.3 -2,-0.5 124,-0.2 -0.924 11.6 172.1-118.3 143.9 50.5 17.2 26.6 32 32 A S E - C 0 55B 2 23,-1.3 23,-1.7 -2,-0.4 2,-0.4 -0.845 16.8-154.0-155.0 110.9 53.1 17.3 29.4 33 33 A L E - C 0 54B 3 -2,-0.3 2,-0.5 21,-0.2 21,-0.2 -0.708 6.1-168.3 -88.0 136.2 53.2 19.9 32.2 34 34 A K E - C 0 53B 34 19,-1.2 19,-2.1 -2,-0.4 2,-0.2 -0.959 22.5-134.1-123.1 107.3 56.6 20.5 33.8 35 35 A F E + C 0 52B 5 -2,-0.5 129,-0.3 126,-0.3 17,-0.3 -0.452 29.2 172.9 -70.1 130.3 56.2 22.5 37.0 36 36 A I E - 0 0 17 15,-2.4 130,-2.4 1,-0.4 2,-0.3 0.682 64.5 -9.6-104.5 -30.6 58.5 25.4 37.4 37 37 A N E - C 0 51B 6 14,-1.8 14,-3.0 128,-0.2 2,-0.5 -0.985 43.3-143.0-168.9 155.6 57.0 27.0 40.5 38 38 A I E + C 0 50B 1 -2,-0.3 132,-0.5 12,-0.2 133,-0.4 -0.980 27.4 172.4-124.6 111.4 54.2 27.1 43.0 39 39 A L E + 0 0 2 10,-2.8 2,-0.4 -2,-0.5 11,-0.2 0.867 56.1 16.2 -93.7 -44.7 53.5 30.7 44.0 40 40 A E E - C 0 49B 97 9,-1.3 9,-2.2 2,-0.0 2,-0.4 -0.996 56.7-176.5-138.8 136.4 50.4 31.0 46.2 41 41 A V E - C 0 48B 33 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.964 6.0-176.5-129.4 145.4 48.5 28.4 48.1 42 42 A N E >> - C 0 47B 64 5,-1.1 4,-1.6 -2,-0.4 5,-1.3 -0.862 5.4-176.3-142.8 102.4 45.3 28.8 50.0 43 43 A E T 45S+ 0 0 94 -2,-0.3 83,-0.2 1,-0.2 82,-0.2 0.758 86.3 58.5 -71.5 -23.4 44.0 25.7 51.8 44 44 A I T 45S+ 0 0 135 1,-0.2 -1,-0.2 81,-0.1 82,-0.0 0.919 120.4 25.5 -70.3 -45.2 41.0 27.6 53.0 45 45 A T T 45S- 0 0 22 2,-0.1 331,-0.2 330,-0.0 -2,-0.2 0.508 100.3-129.7 -97.6 -6.5 39.8 28.4 49.4 46 46 A N T <5 + 0 0 22 -4,-1.6 77,-1.2 1,-0.2 2,-0.4 0.956 58.2 141.1 56.0 54.3 41.5 25.5 47.7 47 47 A E E < -CD 42 122B 18 -5,-1.3 -5,-1.1 75,-0.2 2,-0.4 -0.987 33.0-163.1-130.7 137.5 43.2 27.8 45.1 48 48 A V E -CD 41 121B 1 73,-2.4 73,-2.4 -2,-0.4 2,-0.6 -0.945 12.9-157.7-125.0 143.4 46.6 27.5 43.6 49 49 A D E +CD 40 120B 12 -9,-2.2 -10,-2.8 -2,-0.4 -9,-1.3 -0.946 34.5 165.6-117.0 104.4 48.8 29.9 41.7 50 50 A V E -CD 38 119B 0 69,-2.2 69,-2.6 -2,-0.6 2,-0.4 -0.858 31.4-145.8-127.3 159.0 51.3 27.9 39.7 51 51 A V E +CD 37 118B 4 -14,-3.0 -15,-2.4 -2,-0.3 -14,-1.8 -0.960 31.4 151.8-119.9 138.0 53.8 28.2 36.8 52 52 A F E -CD 35 117B 1 65,-2.2 65,-3.3 -2,-0.4 2,-0.7 -0.988 46.2-106.6-160.1 165.3 54.6 25.4 34.4 53 53 A W E -CD 34 116B 31 -19,-2.1 2,-2.0 -2,-0.3 -19,-1.2 -0.893 23.7-152.1-100.6 114.6 55.7 24.5 30.9 54 54 A Q E -C 33 0B 29 61,-2.2 2,-0.7 -2,-0.7 -21,-0.2 -0.541 18.7-164.8 -86.5 73.0 52.8 23.3 28.8 55 55 A Q E +C 32 0B 40 -2,-2.0 -23,-1.3 -23,-1.7 2,-0.3 -0.466 13.8 179.9 -63.3 105.3 54.9 21.2 26.6 56 56 A T E +CE 31 113B 5 57,-2.8 57,-2.1 -2,-0.7 2,-0.3 -0.866 9.8 179.8-115.2 146.5 52.7 20.3 23.7 57 57 A T E +CE 30 112B 27 -27,-1.9 -27,-2.7 -2,-0.3 2,-0.3 -0.999 11.8 142.0-147.8 141.7 53.4 18.3 20.6 58 58 A W E - E 0 111B 2 53,-1.7 53,-3.0 -2,-0.3 2,-0.4 -0.945 39.7-102.6-162.2 178.2 51.5 17.2 17.5 59 59 A S E + E 0 110B 42 -31,-0.3 2,-0.4 -2,-0.3 51,-0.2 -0.959 23.0 176.0-125.8 132.0 51.9 16.6 13.8 60 60 A D > - 0 0 6 49,-3.6 3,-1.6 -2,-0.4 4,-0.2 -0.876 6.7-172.9-130.4 96.3 50.9 18.7 10.8 61 61 A R G > S+ 0 0 187 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.655 79.0 72.8 -64.2 -18.9 52.2 17.1 7.5 62 62 A T G 3 S+ 0 0 109 1,-0.2 -1,-0.3 47,-0.1 47,-0.1 0.590 96.1 54.4 -73.1 -7.1 51.1 20.2 5.4 63 63 A L G < S+ 0 0 7 -3,-1.6 46,-0.3 46,-0.1 -1,-0.2 0.533 84.4 115.5 -98.6 -11.9 54.1 21.9 7.0 64 64 A A < + 0 0 49 -3,-1.1 2,-0.3 44,-0.2 44,-0.2 -0.270 37.0 170.1 -62.5 146.3 56.6 19.2 6.0 65 65 A W - 0 0 38 42,-2.1 2,-0.5 7,-0.1 44,-0.1 -0.970 42.6 -95.4-152.2 151.8 59.3 20.1 3.5 66 66 A N + 0 0 117 -2,-0.3 3,-0.1 1,-0.1 42,-0.0 -0.623 38.4 176.9 -76.4 120.7 62.5 18.2 2.3 67 67 A S > + 0 0 14 -2,-0.5 3,-2.2 1,-0.1 -1,-0.1 0.224 42.1 115.9-108.6 14.5 65.4 19.4 4.5 68 68 A S T 3 S+ 0 0 78 1,-0.3 2,-0.2 4,-0.1 -1,-0.1 0.943 98.9 19.3 -47.6 -57.6 68.1 17.1 3.0 69 69 A H T 3 S+ 0 0 175 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.421 130.6 58.9-108.5 53.2 70.0 20.2 1.7 70 70 A S S < S- 0 0 23 -3,-2.2 -68,-0.1 -2,-0.2 -3,-0.1 -0.966 97.4 -63.7-166.7 167.3 68.2 22.6 4.1 71 71 A P - 0 0 34 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.286 33.0-149.2 -60.3 143.2 67.5 23.4 7.8 72 72 A D S S+ 0 0 98 1,-0.1 35,-3.8 34,-0.1 2,-0.3 0.772 76.7 30.9 -85.3 -26.7 65.5 20.7 9.7 73 73 A Q E +F 106 0B 51 33,-0.3 2,-0.3 34,-0.1 33,-0.2 -0.942 57.2 178.6-135.2 154.5 63.8 23.1 12.1 74 74 A V E -F 105 0B 0 31,-1.6 31,-2.9 -2,-0.3 2,-0.6 -0.975 32.8-113.7-148.7 156.0 62.5 26.7 12.2 75 75 A S E -F 104 0B 9 -2,-0.3 29,-0.2 29,-0.2 768,-0.1 -0.860 36.7-171.5 -95.8 120.6 60.8 28.9 14.8 76 76 A V E -F 103 0B 3 27,-2.4 27,-3.6 -2,-0.6 2,-0.1 -0.912 26.9-111.1-115.7 137.9 57.3 29.8 13.7 77 77 A P E > -F 102 0B 12 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.434 25.9-125.4 -66.6 138.6 54.9 32.3 15.3 78 78 A I G > S+ 0 0 25 23,-2.7 3,-1.4 1,-0.3 24,-0.1 0.808 108.0 65.1 -51.1 -34.6 51.9 30.5 16.9 79 79 A S G 3 S+ 0 0 97 22,-0.3 -1,-0.3 1,-0.2 23,-0.1 0.583 97.3 54.2 -67.2 -13.2 49.6 32.7 14.9 80 80 A S G < S+ 0 0 14 -3,-2.4 2,-0.3 -65,-0.1 -1,-0.2 0.422 106.3 59.5-101.5 0.4 50.8 31.2 11.6 81 81 A L S < S- 0 0 5 -3,-1.4 2,-0.3 -4,-0.3 -70,-0.0 -0.811 88.1-105.7-124.1 163.8 50.0 27.6 12.6 82 82 A W - 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